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Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine

The title compound, C(15)H(14)N(4)O, crystallizes with two mol­ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first mol­ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrol...

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Autores principales: Mague, Joel T., Mohamed, Shaaban K., Akkurt, Mehmet, El-Emary, Talaat I., Albayati, Mustafa R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257281/
https://www.ncbi.nlm.nih.gov/pubmed/25484837
http://dx.doi.org/10.1107/S1600536814023514
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author Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
El-Emary, Talaat I.
Albayati, Mustafa R.
author_facet Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
El-Emary, Talaat I.
Albayati, Mustafa R.
author_sort Mague, Joel T.
collection PubMed
description The title compound, C(15)H(14)N(4)O, crystallizes with two mol­ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first mol­ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second mol­ecule. In the crystal, the two mol­ecules, together with their inversion-symmetry counterparts, are linked into tetra­mers by O—H⋯N hydrogen bonds. The tetra­mers form layers parallel to (211) through pairwise C—H⋯π inter­actions.
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spelling pubmed-42572812014-12-05 Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine Mague, Joel T. Mohamed, Shaaban K. Akkurt, Mehmet El-Emary, Talaat I. Albayati, Mustafa R. Acta Crystallogr Sect E Struct Rep Online Data Reports The title compound, C(15)H(14)N(4)O, crystallizes with two mol­ecules in the asymmetric unit with similar conformations (r.m.s. overlay fit for the 20 non-H atoms = 0.175 Å). In the first mol­ecule, the dihedral angles between the planes of the central pyrazole ring and the pendant phenyl and pyrrole rings are 42.69 (8) and 51.88 (6)°, respectively, with corresponding angles of 54.49 (7) and 49.61 (9)°, respectively, in the second mol­ecule. In the crystal, the two mol­ecules, together with their inversion-symmetry counterparts, are linked into tetra­mers by O—H⋯N hydrogen bonds. The tetra­mers form layers parallel to (211) through pairwise C—H⋯π inter­actions. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257281/ /pubmed/25484837 http://dx.doi.org/10.1107/S1600536814023514 Text en © Mague et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Data Reports
Mague, Joel T.
Mohamed, Shaaban K.
Akkurt, Mehmet
El-Emary, Talaat I.
Albayati, Mustafa R.
Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine
title Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine
title_full Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine
title_fullStr Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine
title_full_unstemmed Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine
title_short Crystal structure of (E)-N-{[3-methyl-1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]methyl­idene}hydroxyl­amine
title_sort crystal structure of (e)-n-{[3-methyl-1-phenyl-5-(1h-pyrrol-1-yl)-1h-pyrazol-4-yl]methyl­idene}hydroxyl­amine
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257281/
https://www.ncbi.nlm.nih.gov/pubmed/25484837
http://dx.doi.org/10.1107/S1600536814023514
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